Basic information
- CAS
23380-54-3- Standard SMILES
Cc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1N- InChIKey
YWXVGSRRJLYMHX-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O3S
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.0444402
Names & identifiers
- Preferred name
- 2-amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide
- IUPAC
- 2-amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide
- English name
- 2-amino-5-(aminosulphonyl)-4-chloro-N-(o-tolyl)benzamide
- Molecular formula
- C14H14ClN3O3S
- Molecular weight
- 339.8
Names & synonyms
23380-54-32-amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide2-Amino-4-chloro-5-sulfamoyl-N-(o-tolyl)benzamide2-AMINO-4-CHLORO-5-SULFAMOYL-O-BENZOTOLUIDIDEU9363D8R2T2-Amino-5-(aminosulfonyl)-4-chloro-N-(2-methylphenyl)benzamideEINECS 245-620-4Metolazone EP Impurity EUNII-U9363D8R2T2-Amino-5-(aminosulphonyl)-4-chloro-N-(o-tolyl)benzamideSCHEMBL11246918SCHEMBL31338871
Show more names
Metolazone Impurity BMetolazone Benzamide Analog2-Amino-4-chloro-5-sulfamoyl-o-benzotoluididMetolazone EP Impurity E Metolazone USP RC BMetolazone Impurity 5 （Metolazone EP Impurity E）Metolazone EP Impurity E (Metolazone Benzamide Analog)2-amino-5-(aminosulfonyl)-4-chloro-N-(o-tolyl)benzamide
DTXSID80177941YWXVGSRRJLYMHX-UHFFFAOYSA-NMetolazone benzamide analog [USP Impurity]METOLAZONE IMPURITY E [EP IMPURITY]NS00027409H84631Q27290937Benzamide, 2-amino-5-(aminosulfonyl)-4-chloro-N-(2-methylphenyl)-
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Melting point
- 289 · 289-292 °C (decomp)
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly)
- pka
- 9.38 · 9.38±0.60(Predicted)
- form
- Solid
- color
- Off-White to Dark Brown
- FDA UNII
- 9363 D8R2T · U9363D8R2T
Chemistry & industry
Applications
Uses2-Amino-4-chloro-5-sulfamoyl-o-benzotoluidide is an intermediate in the synthesis of Metolazone (M338750); a diuretic and antihypertensive agent.
Suppliers20 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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